Generating MnO2Nanoparticles Using Simulated Amorphization and Recrystallization
نویسندگان
چکیده
منابع مشابه
Generating MnO2 nanoparticles using simulated amorphization and recrystallization.
Models of MnO2 nanoparticles, with full atomistic detail, have been generated using a simulated amorphization and recrystallization strategy. In particular, a 25,000-atom "cube" of MnO2 was amorphized (tension-induced) under molecular dynamics (MD). Long-duration MD, applied to this system, results in the sudden evolution of a small crystalline region of pyrolusite-structured MnO2, which acts a...
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ژورنال
عنوان ژورنال: Journal of the American Chemical Society
سال: 2005
ISSN: 0002-7863,1520-5126
DOI: 10.1021/ja0434073